Coumarin 30 supplier | CasNO.41044-12-6

Name
Coumarin 30
EINECS 255-186-8
CAS No. 41044-12-6
Article Data3
CAS DataBase
Density 1.223 g/cm³
Solubility
Melting Point 225-229 °C
Formula C₂₁H₂₁N₃O₂
Boiling Point 587.976 °C at 760 mmHg
Molecular Weight 347.417
Flash Point 309.397 °C
Transport Information
Appearance
Safety 37/39-26-36
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms Coumarin,7-(diethylamino)-3-(1-methyl-2-benzimidazolyl)- (6CI,7CI);3-(1-Methylbenzimidazol-2-yl)-7-diethylamino-2H-benzopyran-2-one;3-(2'-N-Methylbenzimidazole)-7-(N,N-diethylamino)coumarin;7-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2-benzopyrone;7-(Diethylamino)-3-(1-methyl-2-benzimidazolyl)coumarin;Coumarin 30;Coumarin 515;NSC 290433;
PSA 51.27000
LogP 4.19290

Coumarin 30 Specification

The Coumarin 30, with the CAS registry number 41044-12-6, is also known as 3-(1-Methylbenzimidazol-2-yl)-7-diethylamino-2H-benzopyran-2-one. Its EINECS number is 255-186-8. This chemical's molecular formula is C₂₁H₂₁N₃O₂ and molecular weight is 347.41. What's more, its systematic name is 7-(Diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2H-chromen-2-one. This chemical should be sealed and stored in a cool and dry place.

Physical properties of Coumarin 30 are: (1)ACD/LogP: 4.848; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.76; (4)ACD/LogD (pH 7.4): 4.85; (5)ACD/BCF (pH 5.5): 2328.82; (6)ACD/BCF (pH 7.4): 2838.39; (7)ACD/KOC (pH 5.5): 8453.26; (8)ACD/KOC (pH 7.4): 10302.89; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.36 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 101.783 cm³; (15)Molar Volume: 283.961 cm³; (16)Polarizability: 40.35×10^-24cm³; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.223 g/cm³; (19)Flash Point: 309.397 °C; (20)Enthalpy of Vaporization: 87.78 kJ/mol; (21)Boiling Point: 587.976 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(ccc1\C=C\2c3nc4ccccc4n3C)N(CC)CC
(2)Std. InChI: InChI=1S/C21H21N3O2/c1-4-24(5-2)15-11-10-14-12-16(21(25)26-19(14)13-15)20-22-17-8-6-7-9-18(17)23(20)3/h6-13H,4-5H2,1-3H3
(3)Std. InChIKey: KZFUMWVJJNDGAU-UHFFFAOYSA-N

Product Name

Coumarin 30

Coumarin 30 Specification

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